Geometry & MOs

Info

ID:	56305
PubChem CID:	17425040
Reduced:	Cl2O2F3N4C21H21 (1)
Stoich.:	A2B2C3D4E21F21 (1)
Weight, g/mol:	481.218841
ΔH_f, kcal/mol:	-207.71
Dipole, Da:	3.94
IP(EA), eV:	-9.13(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)CC3=CC=CC=C3Cl

DOS

IR

Vibrations